SCHEMBL6092549

SCHEMBL6092549

O=C(O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCc2n[nH]cc2C1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.46
PRSS1 P07477 6/20 0.40
XIAP P98170 1/20 0.39
MLX Q9UH92 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN3A Q9NY46 1/20 0.39
CHRM3 P20309 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6179483 0.89 F2 (0.47) F2PRSS1SCN5ASCN3ACHRM3
Hydrochloric Acid SCHEMBL6093262 0.88 F2 (0.47) F2PRSS1SCN5ASCN3ACHRM3
SCHEMBL6093041 0.86 KDM4E (0.39) F2XIAPMLX
SCHEMBL6095258 0.86 KDM4E (0.39) F2XIAPMLX
SCHEMBL6094199 0.84 F2 (0.46) F2PRSS1XIAPMLXSCN5A
SCHEMBL6179624 0.83 F2 (0.41) F2PRSS1SCN5ASCN3ACHRM3
SCHEMBL6093180 0.79 TAAR1 (0.41) F2XIAPSCN5ASCN3A
SCHEMBL6096030 0.76 TMPRSS11D (0.46) F2PRSS1
Hydrochloric Acid SCHEMBL6094357 0.76 F2 (0.43) F2PRSS1
SCHEMBL6178057 0.74 KDM4E (0.41) F2XIAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP claimed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US claimed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP claimed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO claimed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 F2 2/4885PRSS1 86/4885XIAP 2117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.